SCHEMBL10114985

SCHEMBL10114985

CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1cccc(F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
ALDH1A1 P00352 3/20 0.52
HDAC6 Q9UBN7 6/20 0.51
HDAC3 O15379 4/20 0.48
HDAC1 Q13547 4/20 0.48
HDAC2 Q92769 4/20 0.48
HDAC10 Q969S8 4/20 0.48
HDAC11 Q96DB2 4/20 0.48
HDAC8 Q9BY41 4/20 0.48
HDAC4 P56524 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48
HDAC9 Q9UKV0 2/20 0.48
HDAC5 Q9UQL6 2/20 0.48
EGFR P00533 1/20 0.48
LMNA P02545 1/20 0.46
FOLH1 Q04609 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NCOR2 Q9Y618 2/20 0.44
CA1 P00915 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10115123 0.88 ALDH1A1 (0.44) KMT2AMEN1ALDH1A1HDAC6HDAC3
SCHEMBL10113183 0.87 EPHX2 (0.54) KMT2AMEN1ALDH1A1HDAC6HDAC1
SCHEMBL10113561 0.87 ALDH1A1 (0.53) KMT2AMEN1ALDH1A1HDAC6HDAC3
SCHEMBL10113438 0.87 MEN1 (0.59) KMT2AMEN1ALDH1A1HDAC6HDAC3
SCHEMBL10115103 0.86 HDAC6 (0.63) KMT2AMEN1ALDH1A1HDAC6HDAC3
SCHEMBL10113615 0.86 ALDH1A1 (0.59) KMT2AMEN1ALDH1A1HDAC6LMNA
SCHEMBL10113445 0.86 HDAC6 (0.61) KMT2AMEN1ALDH1A1HDAC6HDAC3
SCHEMBL10113406 0.85 HDAC3 (0.56) KMT2AMEN1ALDH1A1HDAC6HDAC3
SCHEMBL10114989 0.85 HDAC6 (0.67) ALDH1A1HDAC6HDAC3HDAC1HDAC2
SCHEMBL10115223 0.84 HDAC6 (0.48) KMT2AMEN1ALDH1A1HDAC6HDAC3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8115027-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2012-02-14 US disclosed
US-8115027-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2012-02-14 US disclosed
US-20110039802-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2011-02-17 US disclosed
US-20100292500-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2010-11-18 US disclosed
US-20100292500-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2010-11-18 US disclosed
US-7781461-B2 NPY Y5 antagonist KAWANISHI YASUYUKI 2010-08-24 US disclosed
US-7781461-B2 NPY Y5 antagonist KAWANISHI YASUYUKI 2010-08-24 US disclosed
US-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 US disclosed
US-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 US disclosed
US-20070015762-A1 NPY Y5 antagonist KAWANISHI YASUYUKI 2007-01-18 US disclosed
US-20070015762-A1 NPY Y5 antagonist KAWANISHI YASUYUKI 2007-01-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070015762-A1 NPY Y5 antagonist NPY5R, NPY1R, NPY2R KMT2A 2912/4885MEN1 2876/4885ALDH1A1 4558/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KMT2A 2768/4885MEN1 2932/4885ALDH1A1 4599/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KMT2A 2953/4885MEN1 2926/4885ALDH1A1 4517/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.